ChemicalBook > Product Catalog > Analytical Chemistry > food safety > Fatty acid methyl ester > Caprylic acid-2-13C
Caprylic acid-2-13C
Caprylic acid-2-13C Basic information
- Product Name:
- Caprylic acid-2-13C
- Synonyms:
-
- Caprylic acid-2-13C
- Octanoic acid-2-13C
- Octanoic acid-2-13C
- CAS:
- 287111-06-2
- MF:
- C8H16O2
- MW:
- 145.22044
- Mol File:
- 287111-06-2.mol
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Caprylic acid-2-13C Chemical Properties
- Melting point:
- 16 °C(lit.)
- Boiling point:
- 237 °C(lit.)
- Density
- 0.916 g/mL at 25 °C
- Flash point:
- 113 °C
- InChI
- 1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)/i7+1
- InChIKey
- WWZKQHOCKIZLMA-CDYZYAPPSA-N
- SMILES
- CCCCCC[13CH2]C(O)=O
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Safety Information
- Hazard Codes
- C
- Risk Statements
- 34
- Safety Statements
- 26-36/39-45
- RIDADR
- UN 3265 8/PG 3
- WGK Germany
- WGK 1
- Storage Class
- 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- Eye Dam. 1
Skin Corr. 1B
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Caprylic acid-2-13C Usage And Synthesis
Uses
- High-resolution NMR spectroscopy
- Metabolomic profiling and pathway analysis
- Stable Isotope probing in Environmental microbiology
- Acid-catalyzed reaction mechanism studies
Definition
ChEBI: Octanoic acid is a straight-chain saturated fatty acid that is heptane in which one of the hydrogens of a terminal methyl group has been replaced by a carboxy group. Octanoic acid is also known as caprylic acid. It has a role as an antibacterial agent, a human metabolite and an Escherichia coli metabolite. It is a straight-chain saturated fatty acid and a medium-chain fatty acid. It is a conjugate acid of an octanoate.